@MOLECULE (2S)-2-amino-6-[[(2R,3R,5R)-5-amino-3-methyl-pyrrolidine-2-carbonyl]amino]hexanoic acid 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 C1 6.1317 0.6803 -0.0977 C.2 1 <1> 0.5707 2 N1 5.4061 -1.5967 0.5190 N.3 1 <1> -0.6238 3 O1 7.0585 0.6822 0.6678 O.2 1 <1> -0.5110 4 C2 5.0718 -0.4051 -0.2682 C.3 1 <1> -0.0007 5 C3 3.7112 0.1762 0.1634 C.3 1 <1> -0.2767 6 C4 1.2423 -0.2760 0.3540 C.3 1 <1> -0.3019 7 C5 0.1356 -1.3125 0.0910 C.3 1 <1> -0.0650 8 C6 2.5834 -0.8121 -0.1535 C.3 1 <1> -0.2580 9 N2 -1.1541 -0.8053 0.5745 N.am 1 <1> -0.5986 10 O2 5.9212 1.7036 -0.9580 O.3 1 <1> -0.5571 11 C7 -2.2464 -0.7682 -0.2586 C.2 1 <1> 0.5508 12 N3 -4.6985 -0.9555 -0.0900 N.3 1 <1> -0.6016 13 O3 -2.1949 -1.1849 -1.3997 O.2 1 <1> -0.5424 14 N4 -6.8200 -0.1279 0.7327 N.3 1 <1> -0.6450 15 C8 -3.5216 -0.1616 0.3239 C.3 1 <1> -0.0529 16 C9 -3.0834 2.3280 0.6707 C.3 1 <1> -0.4568 17 C10 -5.2356 1.4327 -0.3676 C.3 1 <1> -0.3283 18 C11 -5.8245 -0.0052 -0.3435 C.3 1 <1> 0.2195 19 C12 -3.7101 1.2790 -0.2367 C.3 1 <1> -0.1111 20 H1 6.3063 -1.9806 0.2719 H 1 <1> 0.2626 21 H2 5.3913 -1.4187 1.5122 H 1 <1> 0.2614 22 H3 5.0294 -0.7023 -1.3538 H 1 <1> 0.1803 23 H4 3.7187 0.4133 1.2442 H 1 <1> 0.1454 24 H5 3.5346 1.1371 -0.3626 H 1 <1> 0.1596 25 H6 0.9932 0.6775 -0.1501 H 1 <1> 0.1495 26 H7 1.3043 -0.0445 1.4329 H 1 <1> 0.1377 27 H8 0.0648 -1.5401 -1.0011 H 1 <1> 0.1737 28 H9 0.3650 -2.2752 0.6021 H 1 <1> 0.1387 29 H10 2.5344 -0.9991 -1.2438 H 1 <1> 0.1450 30 H11 2.8098 -1.7966 0.3076 H 1 <1> 0.1627 31 H12 -1.1891 -0.4716 1.5208 H 1 <1> 0.3089 32 H13 6.5892 2.4311 -0.8887 H 1 <1> 0.3581 33 H14 -4.4833 -1.5396 -0.9009 H 1 <1> 0.2866 34 H15 -7.1917 -1.0661 0.7880 H 1 <1> 0.2578 35 H16 -6.4329 0.1024 1.6353 H 1 <1> 0.2508 36 H17 -3.5072 -0.1534 1.4412 H 1 <1> 0.1558 37 H18 -1.9968 2.1990 0.7418 H 1 <1> 0.1464 38 H19 -3.2636 3.3402 0.2855 H 1 <1> 0.1557 39 H20 -3.4923 2.2922 1.6872 H 1 <1> 0.1489 40 H21 -5.5134 1.9530 -1.2968 H 1 <1> 0.1502 41 H22 -5.6577 2.0435 0.4498 H 1 <1> 0.1637 42 H23 -6.3343 -0.2558 -1.3093 H 1 <1> 0.1357 43 H24 -3.2456 1.3416 -1.2511 H 1 <1> 0.1546 @BOND 1 1 3 2 2 1 10 1 3 2 20 1 4 2 21 1 5 4 1 1 6 4 2 1 7 4 22 1 8 5 4 1 9 5 23 1 10 5 24 1 11 6 25 1 12 6 26 1 13 7 6 1 14 7 9 1 15 7 27 1 16 7 28 1 17 8 5 1 18 8 6 1 19 8 29 1 20 8 30 1 21 9 31 1 22 10 32 1 23 11 9 am 24 11 15 1 25 12 15 1 26 12 18 1 27 12 33 1 28 13 11 2 29 14 18 1 30 14 34 1 31 14 35 1 32 15 19 1 33 15 36 1 34 16 37 1 35 16 38 1 36 16 39 1 37 17 19 1 38 17 40 1 39 17 41 1 40 18 17 1 41 18 42 1 42 19 16 1 43 19 43 1